8R7E
 
 | | MutSbeta bound to compound CHDI-00898647 in the canonical DNA-mismatch bound form | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Abivertinib, ... | | Authors: | Thomsen, M, Thieulin-Pardo, G, Steinbacher, S, Brace, G, Tillack, K, Johnson, P, Ritzefeld, M, Schaertl, S, Frush, E, Warfield, B, Ballantyne, G, Lee, J.-H, Witte, D, Finley, M, Prasad, B, Monteagudo, E, Plotnikov, N, Pacifici, R, Maillard, M, Wilkinson, H, Iyer, R, Dominguez, C, Vogt, T, Felsenfeld, D, Haque, T. | | Deposit date: | 2023-11-24 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.783 Å) | | Cite: | Identification of orthosteric inhibitors of MutSbeta ATPase function
Chemrxiv, 2024
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8R7C
 | | MutSbeta bound to compound CHDI-00915542 in the canonical DNA-mismatch bound form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*AP*TP*CP*GP*AP*TP*CP*GP*CP*AP*GP*CP*TP*TP*CP*AP*GP*AP*TP*AP*G)-3'), ... | | Authors: | Thomsen, M, Thieulin-Pardo, G, Steinbacher, S, Brace, G, Tillack, K, Johnson, P, Ritzefeld, M, Schaertl, S, Frush, E, Warfield, B, Ballantyne, G, Lee, J.-H, Witte, D, Finley, M, Prasad, B, Monteagudo, E, Plotnikov, N, Pacifici, R, Maillard, M, Wilkinson, H, Iyer, R, Dominguez, C, Vogt, T, Felsenfeld, D, Haque, T. | | Deposit date: | 2023-11-24 | | Release date: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Identification of orthosteric inhibitors of MutSbeta ATPase function
Chemrxiv, 2024
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8RZ7
 | | (CAG)2 DNA-bound MutSbeta in open form with kinked MSH2 clamp | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2024-02-12 | | Release date: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | (CAG)2 DNA-bound MutSbeta in open form with kinked MSH2 clamp
To Be Published
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8RZ9
 | | MutSbeta-ATPgS with kinked MSH2 clamp | | Descriptor: | DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, MAGNESIUM ION, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2024-02-12 | | Release date: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | MutSbeta-ATPgS complex with kinked MSH2 clamp
To Be Published
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8RZ8
 | | MutSbeta-ATPgS with straight MSH2 clamp | | Descriptor: | DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, MAGNESIUM ION, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2024-02-12 | | Release date: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | MutSbeta-ATPgS complex with straight MSH2 clamp
To Be Published
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8OM9
 | | MutSbeta bound to (CAG)2 DNA (open form) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2023-03-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | MutSbeta bound to (CAG)2 DNA (open form)
To Be Published
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8OMA
 | | MutSbeta bound to 61bp homoduplex DNA | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2023-03-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | MutSbeta bound to 61bp homoduplex DNA
To Be Published
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8OLX
 | | MutSbeta bound to (CAG)2 DNA (canonical form) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (21-MER), DNA (27-MER), ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2023-03-30 | | Release date: | 2023-05-24 | | Last modified: | 2024-12-04 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Elucidation of multiple high-resolution states of human MutS beta by cryo-EM reveals interplay between ATP/ADP binding and heteroduplex DNA recognition
Biorxiv, 2024
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8OMQ
 | | DNA-unbound MutSbeta-ATP complex (straight clamp form) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2023-03-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | DNA-unbound MutSbeta-ATP complex (straight clamp form)
To Be Published
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8OM5
 | | DNA-free open form of MutSbeta | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2023-03-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | DNA-free open form of MutSbeta
To Be Published
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8OMO
 | | DNA-unbound MutSbeta-ATP complex (bent clamp form) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA mismatch repair protein Msh2, DNA mismatch repair protein Msh3, ... | | Authors: | Lee, J.-H, Thomsen, M, Daub, H, Steinbacher, S, Sztyler, A, Thieulin-Pardo, G, Neudegger, T, Plotnikov, N, Iyer, R.R, Wilkinson, H, Monteagudo, E, Felsenfeld, D.P, Haque, T, Finley, M, Dominguez, C, Vogt, T.F, Prasad, B.C. | | Deposit date: | 2023-03-31 | | Release date: | 2023-05-24 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | DNA-unbound MutSbeta-ATP complex (bent clamp form)
To Be Published
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8P1W
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with allosteric compound STL232591 | | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, 8-methoxy-1-(4-methoxyphenyl)-3-methyl-2-oxidanyl-[1]benzofuro[3,2-c]pyridine, ... | | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | | Deposit date: | 2023-05-12 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
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8P1V
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ... | | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | | Deposit date: | 2023-05-12 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
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8P1T
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470 | | Descriptor: | 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ... | | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | | Deposit date: | 2023-05-12 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.442 Å) | | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
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8P4H
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric compound IDEAYA cmpd A | | Descriptor: | 7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Thomsen, M, Thieulin-Pardo, G, Neumann, L. | | Deposit date: | 2023-05-21 | | Release date: | 2023-08-30 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
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5OJR
 | | YCF48 bound to D1 peptide | | Descriptor: | Photosystem II protein D1 3, Ycf48-like protein | | Authors: | Michoux, F, Nixon, P.J, Murray, J.W, Bialek, W, Thieulin-Pardo, G. | | Deposit date: | 2017-07-23 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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